Diethyl (4-nitrobenzyl)phosphonate supplier

Name
DIETHYL(4-NITROBENZYL)PHOSPHONATE
EINECS 246-331-6
CAS No. 2609-49-6
Article Data60
CAS DataBase
Density 1.239 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆NO₅P
Boiling Point 409.3 °C at 760 mmHg
Molecular Weight 273.226
Flash Point 201.3 °C
Transport Information
Appearance clear slightly viscous yellow-orange to dark red liquid
Safety 24/25
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Phosphonicacid, (p-nitrobenzyl)-, diethyl ester (6CI,7CI,8CI);Phosphonic acid,[(4-nitrophenyl)methyl]-, diethyl ester (9CI);(4-Nitrobenzyl)phosphonic aciddiethyl Ester;Diethyl (4-nitrobenzyl)phosphonate;Diethyl(p-nitrobenzyl)phosphonate;NSC 82303;O,O-Diethyl (4-nitrobenzyl)phosphonate;
PSA 91.16000
LogP 3.88410

Diethyl (4-nitrobenzyl)phosphonate Specification

This chemical is called Diethyl (4-nitrobenzyl)phosphonate, and its CAS registry number is 2609-49-6. With the molecular formula of C₁₁H₁₆NO₅P, its molecular weight is 273.22. Additionally, this chemical is clear slightly viscous yellow-orange to dark red liquid. If you use this it, please avoid contacting with skin and eyes.

Other characteristics of the Diethyl (4-nitrobenzyl)phosphonate can be summarised as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 91.16 Å²; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 66.61 cm³; (9)Molar Volume: 220.4 cm³; (10)Polarizability: 26.4×10^-24cm³; (11)Surface Tension: 44.7 dyne/cm; (12)Density: 1.239 g/cm³; (13)Flash Point: 201.3 °C; (14)Enthalpy of Vaporization: 63.58 kJ/mol; (15)Boiling Point: 409.3 °C at 760 mmHg; (16)Vapour Pressure: 1.55E-06 mmHg at 25°C.

Uses of this chemical: The Diethyl (4-nitrobenzyl)phosphonate could react with 4-trifluoromethyl-benzaldehyde, and obtain the 4-Trifluormethyl-4'-nitrostilben. This reaction needs the reagent of sodium ethoxide, and the solvent of ethanol. The yield is 86 %. In addition, this reaction should be taken for 30 minutes at the ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(cc1)CP(=O)(OCC)OCC
2.InChI: InChI=1/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
3.InChIKey: FORMFFDDQMCTCT-UHFFFAOYAD

Product Name

DIETHYL(4-NITROBENZYL)PHOSPHONATE

Diethyl (4-nitrobenzyl)phosphonate Specification

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